HIT ID: HIT100428134
Cas No: 1007884-60-7
分子式: C33H39N7O3
分子量: 581.721
常用名: Monodes(N-carboxymethyl)valine Daclatasvir
常用名: Monodes(N-carboxymethyl)valine Daclatasvir
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 2.6702
IUPAC: methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
IUPAC: methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1
SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1
InChI key: BHLPGQSNBFUPQA-FMYROPPKSA-N
